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69812-51-7,MFCD00627554
Catalog No.:AA00354B
69812-51-7 | Methyl 4-(chlorosulfonyl)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
93%
in stock  
$11.00   $8.00
- +
1g
93%
in stock  
$32.00   $23.00
- +
5g
93%
in stock  
$102.00   $72.00
- +
10g
93%
in stock  
$195.00   $136.00
- +
25g
93%
in stock  
$388.00   $272.00
- +
100g
99.14%
in stock  
$1,466.00   $1,026.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00354B
Chemical Name:
Methyl 4-(chlorosulfonyl)benzoate
CAS Number:
69812-51-7
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD00627554
IUPAC Name:
methyl 4-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H7ClO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3
InChI Key:
MOFQDKOKODUZPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.65g/mol
Monoisotopic Mass:
233.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
Methyl 4-(Chlorosulfonyl)benzoate 
69812-51-7 
SCHEMBL118882 
CTK5D1385 
DTXSID40406204 
MOFQDKOKODUZPK-UHFFFAOYSA-N 
AC1Q4384 
BCP20583 
4-carbomethoxyphenylsulfonyl chloride 
ANW-49584 
MFCD00627554 
SBB081599 
methyl 4-chlorosulfonylbenzoate 
STL227855 
4-carbomethoxy-phenylsulfonyl chloride 
AKOS000276577 
ZINC100002453 
AB06596 
AC-7116 
AN-9317 
AS06911 
CM11028 
CS-W002649 
4-Chlorosulfonyl-benzoic acid methyl ester 
GS-3537 
MCULE-8524986161 
RP05665 
TRA0084642 
AK-46230 
BAS 05462083 
BR-46230 
SC-27090 
SY004034 
4-(chlorosulfonyl)-, methyl ester (9CI) 
4-Chlorosulfonylbenzoic acid methyl ester 
AB0026318 
ST2413406 
TR-023200 
4CH-000251 
AM20061082 
BB 0219898 
FT-0677898 
ST45175005 
W7954 
EN300-15237 
4-(CHLOROSULFONYL)-BENZOIC ACID METHYL ESTER 
Benzoic acid,4-(chlorosulfonyl)-, methyl ester 
S-3866 
MFCD00627554 (95+%) 
J-522252 
4-chlorosulfonyl-benzoic acid methyl ester, AldrichCPR 
I01-10080 
F2158-1064 
C8H7ClO4S 
ACN-034336 
CID4738388 
4-chlorosulfonyl benzoic acid methyl ester 
Benzoic acid, 4-(chlorosulfonyl)-, methyl ester (9CI) 
BENZOIC ACID, 4-(CHLOROSULFONYL)-, METHYL ESTER 
AC1NHDGV 
PubChem23834 
Literature
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